AG0071LB

471-87-4 | (S)-1,1-Dimethylpyrrolidin-1-ium-2-carboxylate

AG0071LB

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CAS Number	471-87-4
Catalog Number	AG0071LB(AGN-PC-0RUZAM)
Chemical Name	(S)-1,1-Dimethylpyrrolidin-1-ium-2-carboxylate
EC Number	207-445-1
IUPAC Name	(2S)-1,1-dimethylpyrrolidin-1-ium-2-carboxylate
InChI	InChI=1S/C7H13NO2/c1-8(2)5-3-4-6(8)7(9)10/h6H,3-5H2,1-2H3/t6-/m0/s1
InChI Key	CMUNUTVVOOHQPW-LURJTMIESA-N
MDL Number	MFCD09837899
Molecular Formula	C7H13NO2
Molecular Weight	143.1836
SMILES	C[N+]1([C@@H](CCC1)C(=O)[O-])C
UNII	S1L688345C
Synonyms	dimethylproline, proline betaine, stachydrine, stachydrine chloride, stachydrine chloride, (S)-isomer, stachydrine, (+-)-isomer, stachydrine, proline betaine, L-proline betaine, 471-87-4, N,N-dimethyl-L-proline, methyl hygrate betaine, (S)-2-Carboxylato-1,1-dimethylpyrrolidinium, (S)-1,1-Dimethylpyrrolidin-1-ium-2-carboxylate, Prestwick-08G03, UNII-S1L688345C, (2S)-1,1-dimethylpyrrolidin-1-ium-2-carboxylate, CHEBI:35280, (2S)-1,1-dimethylpyrrolidinium-2-carboxylate, S1L688345C, Q-100498, (S)-2-carboxy-1,1-dimethylpyrrolidinium, L-stachydrine, AK121925, N,N-dimethylproline, EINECS 207-445-1, N,N-dimethyl L-proline, AC1L3GSQ, AC1Q5BF8, SCHEMBL232688, CHEMBL1456892, KS-00001FHV, HY-N0298, CD0197, FCH833648, AKOS006237373, CS-6251, DB04284, ACM32039739, NCGC00016999-01, NCGC00163626-01, NCGC00163626-02, AN-45136, ST025366, AB00514653, C10172, (2S)-1,1-dimethylpyrrolidine-2-carboxylic acid, (2S)-1,1-dimethyl-2-pyrrolidin-1-iumcarboxylate, A827165, I07-0240, Pyrrolidinium, 2-carboxy-1,1-dimethyl-, inner salt, (2S)-, (2S)-1,1-DIMETHYL-2,3,4,5-TETRAHYDROPYRROLE-2-CARBOXYLATE, C7H13NO2, C7-H13-N-O2, AR-1J5851, CID115244, ACN-035618, (2S)-2-carboxy-1,1-dimethylpyrrolidinium, 1,1-dimethylpyrrolidin-1-ium-2-carboxylate, 1305B, (2S)-2-Carboxy-1,1-dimethylpyrrolidinium inner salt, 1195-94-4, 5025-20-7,

Complexity	148
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	143.095g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	143.186g/mol
Monoisotopic Mass	143.095g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	40.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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